3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide

C10H14FN3OS — CID 79143818

IUPAC3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1cc(F)ccc1N
InChIInChI=1S/C10H14FN3OS/c1-6(4-10(15)14-13)16-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4,12-13H2,1H3,(H,14,15)
InChIKeyLLDVDLNKYAZICC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds4

About 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide

3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide (PubChem CID 79143818) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
PubChem CID79143818
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1cc(F)ccc1N
InChIInChI=1S/C10H14FN3OS/c1-6(4-10(15)14-13)16-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4,12-13H2,1H3,(H,14,15)
InChIKeyLLDVDLNKYAZICC-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide (CID 79143818) is 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide is CC(CC(=O)NN)Sc1cc(F)ccc1N.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
The InChIKey is LLDVDLNKYAZICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-6(4-10(15)14-13)16-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4,12-13H2,1H3,(H,14,15).
What are the key properties of 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide?
3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 79143818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).